2-methoxy-5-[[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[(2S)-1-tosylprolyl]amino]methyl]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-14-5-8-16(9-6-14)30(27,28)23-11-3-4-18(23)20(24)22-13-15-7-10-19(29-2)17(12-15)21(25)26/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,22,24)(H,25,26)/t18-/m0/s1